SCHEMBL757452

SCHEMBL757452

Cc1ccccc1Cn1ccc(NC(=O)c2c(F)cccc2F)n1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
STIM1 Q13586 2/20 0.61
ORAI1 Q96D31 2/20 0.61
ORAI3 Q9BRQ5 1/20 0.61
LMNA P02545 4/20 0.60
SMN1; SMN2 Q16637 7/20 0.58
KMT2A Q03164 1/20 0.58
MAPT P10636 4/20 0.57
NPSR1 Q6W5P4 3/20 0.57
KDM4E B2RXH2 1/20 0.57
CACNA1G O43497 2/20 0.56
CACNA1H O95180 2/20 0.56
CACNA1I Q9P0X4 2/20 0.56
GAA P10253 1/20 0.55
ALDH1A1 P00352 4/20 0.54
POLB P06746 1/20 0.54
TDP1 Q9NUW8 1/20 0.54
NPC1 O15118 3/20 0.52
RAB9A P51151 3/20 0.52
NFKB1 P19838 1/20 0.52
NFKB2 Q00653 1/20 0.52

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL756476 0.88 NPSR1 (0.62) STIM1ORAI1ORAI3LMNASMN1; SMN2
SCHEMBL757537 0.88 STIM1 (0.70) STIM1ORAI1ORAI3LMNASMN1; SMN2
SCHEMBL759248 0.87 STIM1 (0.66) STIM1ORAI1ORAI3LMNASMN1; SMN2
SCHEMBL758488 0.87 STIM1 (0.71) STIM1ORAI1ORAI3LMNASMN1; SMN2
SCHEMBL758529 0.87 STIM1 (0.74) STIM1ORAI1ORAI3LMNASMN1; SMN2
SCHEMBL759214 0.86 STIM1 (0.59) STIM1ORAI1ORAI3LMNASMN1; SMN2
SCHEMBL758359 0.86 LMNA (0.66) STIM1ORAI1ORAI3LMNASMN1; SMN2
SCHEMBL755866 0.86 STIM1 (0.59) STIM1ORAI1ORAI3LMNASMN1; SMN2
SCHEMBL706934 0.86 STIM1 (0.62) STIM1ORAI1ORAI3LMNASMN1; SMN2
SCHEMBL30096619 0.86 STIM1 (0.62) STIM1ORAI1ORAI3LMNASMN1; SMN2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8399436-B2 N-pyrazolyl carboxamides as CRAC channel inhibitors GLAXO GROUP LIMITED (GB) 2013-03-19 US claimed
US-20120053150-A1 N-PYRAZOLYL CARBOXAMIDES AS CRAC CHANNEL INIHIBITORS GLAXO GROUP LIMITED (GB) 2012-03-01 US claimed
US-8399436-B2 N-pyrazolyl carboxamides as CRAC channel inhibitors GLAXO GROUP LIMITED (GB) 2013-03-19 US disclosed
US-8399436-B2 N-pyrazolyl carboxamides as CRAC channel inhibitors GLAXO GROUP LIMITED (GB) 2013-03-19 US disclosed
US-8399436-B2 N-pyrazolyl carboxamides as CRAC channel inhibitors GLAXO GROUP LIMITED (GB) 2013-03-19 US disclosed
US-20120053150-A1 N-PYRAZOLYL CARBOXAMIDES AS CRAC CHANNEL INIHIBITORS GLAXO GROUP LIMITED (GB) 2012-03-01 US disclosed
US-20120053150-A1 N-PYRAZOLYL CARBOXAMIDES AS CRAC CHANNEL INIHIBITORS GLAXO GROUP LIMITED (GB) 2012-03-01 US disclosed
US-20120053150-A1 N-PYRAZOLYL CARBOXAMIDES AS CRAC CHANNEL INIHIBITORS GLAXO GROUP LIMITED (GB) 2012-03-01 US disclosed
WO-2010122089-A1 N-PYRAZOLYL CARBOXAMIDES AS CRAC CHANNEL INHIBITORS GLAXO GROUP LIMITED (GB) 2010-10-28 WO disclosed
US-20100273744-A1 COMPOUNDS GORE PAUL MARTIN 2010-10-28 US disclosed
US-20100273744-A1 COMPOUNDS GORE PAUL MARTIN 2010-10-28 US disclosed
US-20100273744-A1 COMPOUNDS GORE PAUL MARTIN 2010-10-28 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20120053150-A1 N-PYRAZOLYL CARBOXAMIDES AS CRAC CHANNEL INIHIBITORS ORAI1, TRPV1, CACNA1E STIM1 33/4885ORAI1 1/4885ORAI3 25/4885
US-20100273744-A1 COMPOUNDS LTC4S, HRH4, HRH2 STIM1 2564/4885ORAI1 3127/4885ORAI3 2440/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.